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[会议论文] 作者：Dongju Zhang,Chengbu Liu,
来源：第二届全国离子液体与绿色过程学术会议 年份：2011
In recent years,functionalized ionic liquids (ILs),which are designed and synthesized for carrying out specified task,have attracted great attention due to thei...
[会议论文] 作者：Wenhui Zhong,Dongju Zhang,Chengbu Liu,
来源：第十一届全国量子化学会议 年份：2011
...
[会议论文] 作者：Dongju Zhang,Rognxiu Zhu,Chenbu Liu,
来源：第十三届全国量子化学会议 年份：2017
Ionic liquids(ILs)have attracted great attention as possible replacement for conventional reaction media.Particularly,task-specific ILs have been applied wi...
[会议论文] 作者：Jun Gao,Dongju Zhang,Chengbu Liu,
来源：The 15th ICQC International Congress of Quantum Chemistry(第1 年份：2015
The anisotropic effects and short-range quantum effects are essential characters in the formation of halogen bond and pnicogen bond....
Theoretical explanation for how SO3H-Functioned ionic liquids promote the conversion of cellulose to
[会议论文] 作者：Jingjing Li,Dongju Zhang,Chengbu Liu,
来源：The 15th ICQC International Congress of Quantum Chemistry(第1 年份：2015
While the catalytic transformation of cellulose to glucose by functionalized ionic liquids(ILs)has been achieved successfully under mild conditions,the insi...
Theoretical Elucidation of the Mechanism and Kinetic Phenomena on the Esterification of Alpha-Tocoph
[会议论文] 作者：Yaru Jing,Chengbu Liu,Dongju Zhang,
来源：第十三届全国量子化学会议 年份：2017
DFT calculations have been conducted to gain insight into the mechanism of the esterification of α-tocopheryl succinate catalyzed by histamine derivatives...
Mechanism of Two Successive N-methyl C-H Bond Activations on a Phosphine-Tethered N-Heterocyclic Car
[会议论文] 作者：Jing Yan,Chengbu Liu,Dongju Zhang,
来源：第十三届全国量子化学会议 年份：2017
Recently the Cabeza group reported a unique successive N-methyl C–H bond activation on a phosphine-tethered N-heterocyclic triruthenium carbene complexes....
DFT Study on the Formation Mechanism of Normal and Abnormal N-Heterocyclic Carbene-Carbon Dioxide Ad
[会议论文] 作者：Mengmeng Dong,Chenbu Liu,Dongju Zhang,
来源：第十三届全国量子化学会议 年份：2017
To illustrate the formation mechanism of normal and abnormal N-heterocyclic carbene-carbon dioxide adducts(NHC-CO2 and aNHC-CO2),we implement DFT calculatio...
Mechanism of Two Successive N-methyl C-H Bond Activations on a Phosphine-Tethered N-Heterocyclic Car
[会议论文] 作者：Jing Yan,Chengbu Liu,Dongju Zhang,
来源：第十三届全国量子化学会议 年份：2017
Recently the Cabeza group reported a unique successive N-methyl C–H bond activation on a phosphine-tethered N-heterocyclic triruthenium carbene complexes....
Theoretical Elucidation of the Mechanism and Kinetic Phenomena on the Esterification of Alpha-Tocoph
[会议论文] 作者：Yaru Jing,Chengbu Liu,Dongju Zhang,
来源：第十三届全国量子化学会议 年份：2017
DFT calculations have been conducted to gain insight into the mechanism of the esterification of α-tocopheryl succinate catalyzed by histamine derivatives or imidazolium-based ionic liquids,developed...
Theoretical explanation for how SO3H-Functioned ionic liquids promote the conversion of cellulose to
[会议论文] 作者：Jingjing Li,Dongju Zhang,Chengbu Liu,
来源：The 15th ICQC International Congress of Quantum Chemistry(第1 年份：2015
While the catalytic transformation of cellulose to glucose by functionalized ionic liquids(ILs)has been achieved successfully under mild conditions,the insight into the fundamental molecular mechanism...
DFT Study on the Formation Mechanism of Normal and Abnormal N-Heterocyclic Carbene-Carbon Dioxide Ad
[会议论文] 作者：Mengmeng Dong,Chenbu Liu,Dongju Zhang,
来源：第十三届全国量子化学会议 年份：2017
To illustrate the formation mechanism of normal and abnormal N-heterocyclic carbene-carbon dioxide adducts(NHC-CO2 and aNHC-CO2),we implement DFT calculations on the reactions of imidazolium-based ion...
Theoretical Investigations on the Inclusion of TCDD with p-Cyclodextrin by Performing QM Calculation
[会议论文] 作者：Wenxiao Pan,Dongju Zhang,Jinhua Zhan,Chengbu Liu,
来源：第十一届全国量子化学会议 年份：2011
...
Water-Dependent Chemoselectivity in the Pt-Catalyzed Hydrative Cyclization of 2-Enynylbenzaldehydes:
[会议论文] 作者：Jinxin Guo,Rongxiu Zhu,Dongju Zhang,Chengbu Liu,
来源：第十一届全国量子化学会议 年份：2011
...
Theoretical Illumination on the Mechanism of CO Inserting into the N-H Bond of Iron(Ⅱ) Amido Complex
[会议论文] 作者：Yuxia Liu,Dongju Zhang,Siwei Bi,Chengbu Liu,
来源：第十一届全国量子化学会议 年份：2011
...
[会议论文] 作者：Peng Cui,Dongju Zhang,Yongjun Liu,Chengbu Liu,
来源：第十一届全国化学动力学会议 年份：2009
...
Dissolution and Conversion Mechanisms of Cellulose in Ionic Liquids Insights from Theoretical Studie
[会议论文] 作者：Hao Xu,Jingjing Li,Dongju Zhang,Chengbu Liu,
来源：第十二届全国量子化学会议 年份：2014
Lignocellulosic biomass is the most abundant and renewable resource on earth,and has been claimed to be an ideal alternative to fossil fuels due to its pote...
Cleavage of the β-O-4 Bond of Lignin Model Compounds Catalyzed by an Acidic Ionic Liquid,1-H-3-Methy
[会议论文] 作者：Youtao Zhu,Yaru Jing,Chengbu Liu,Dongju Zhang,
来源：第十三届全国量子化学会议 年份：2017
Understanding the catalytic cleavage mechanism of the β–O–4 bond of lignin is of crucial importance for developing efficient depolymerization strategies...
Computational Study on Rh(Ⅲ)-Catalyzed Synthesis of Indolines from Arylnitrones and Alkynes:Origin o
[会议论文] 作者：Hongliang Wang,Rongxiu Zhu,Chengbu Liu,Dongju Zhang,
来源：第十三届全国量子化学会议 年份：2017
Density functional theory calculations were performed on Rh(Ⅲ)-catalyzed synthesis of indolines from arylnitrones and alkynes,which provides an efficient m...
How and Why [Bu4P][Im]/CO2 System Efficiently Catalyze the Hydration of Propargylic Alcohols to α-Hy
[会议论文] 作者：Xueli Mu,Rongnxiu Zhu,Chengbu Liu,Dongju Zhang,
来源：第十三届全国量子化学会议 年份：2017
Recently,Liu et al(Chem.Sci.2015,6,2297-2301.)reported a green and novel approach to synthesizing α-hydroxy ketones from the hydration of propargylic alcoh...
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